NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.5464 8.1449 118.3517 57.9944 39.2935 174.4193 12 S 4.6333 8.4257 120.2030 56.6353 65.0053 169.4765 13 V 3.9857 8.9689 116.4281 63.6227 32.7484 176.6838 14 C 5.3657 7.8344 115.0597 55.0971 44.5259 173.3232 15 D 5.1600 8.6052 121.5307 53.1409 42.8706 175.5532 16 S 5.1782 8.4122 115.7534 56.8760 67.2069 172.6340 17 E 4.6984 9.0701 116.9461 55.0476 32.5728 174.5864 18 S 5.1220 8.4584 119.2169 56.9749 65.8254 172.9016 19 L 4.3675 7.7812 121.0424 54.9880 44.1676 173.3880 20 W 5.1715 8.8363 119.6801 55.3322 30.7978 175.9309 21 V 4.5442 9.6217 126.0938 61.7103 32.3039 176.0275 22 T 4.6114 8.9872 117.4995 61.7151 70.0599 174.5244 23 D 4.8246 8.0250 120.4392 52.7382 39.8038 176.0011 24 K 4.1391 8.1797 121.9729 57.0709 32.6721 176.2806 25 S 4.9287 8.5470 117.5311 56.6783 65.1210 172.9946 26 S 5.1699 7.8031 113.5140 57.5816 65.4005 172.4333 27 A 4.4853 8.5793 124.8157 51.3367 23.2917 175.1223 28 I 4.7476 8.0744 120.5665 60.3661 39.0526 176.4688 29 D 5.0965 8.8839 127.8359 52.1685 41.3122 176.7421 30 I 3.6923 8.1240 118.5207 64.1686 37.8140 177.1061 31 R 4.1368 8.0927 116.7011 56.2271 30.0537 177.2181 32 G 3.9900 8.2491 106.6852 45.6312 0.0000 173.6735 33 H 4.6059 8.2890 117.1500 55.5645 30.5729 174.5015 34 Q 4.8724 8.5574 119.2649 54.9422 29.6160 175.6129 35 V 4.5537 8.7321 117.8113 59.5855 35.7272 175.1134 36 T 4.6717 8.5528 119.3290 63.0339 70.2328 174.1036 37 V 4.4796 8.2876 126.4522 61.0683 33.0345 175.7723 38 L 4.3280 8.5715 128.4163 54.7217 42.4428 177.3994 39 G 3.8273 8.5782 108.8203 47.1113 0.0000 173.6059 40 E 5.1611 7.8836 116.6634 54.5168 33.1954 175.1714 41 I 4.1772 8.4208 119.0632 62.5636 39.7839 176.9931 *48 V 4.0772 7.4647 118.8042 61.3184 32.6973 174.8428 49 K 4.8223 8.7672 123.0174 55.9609 34.5966 175.9020 50 Q 4.4194 9.0805 124.8866 55.1030 29.4858 173.7979 51 Y 5.1156 7.7666 123.6770 55.2873 41.8766 174.0810 52 F 4.8168 9.4155 116.3268 55.9590 43.9857 173.3825 53 Y 4.6220 8.6724 121.7302 55.9688 40.2258 174.5540 54 E 4.8281 8.3229 125.1096 54.8292 34.4838 174.8065 55 T 4.8892 8.1864 115.7842 60.6868 70.3371 172.9824 56 R 4.7543 8.5652 124.4094 53.9581 33.4001 174.1807 57 C 4.5489 8.6772 116.2293 57.3675 40.5203 172.9869 58 K 4.0237 8.7647 120.5424 55.4262 32.9860 174.3166 59 E 3.7796 7.7856 123.6895 55.6634 29.3573 174.3829 *66 G 4.2583 8.1552 109.0078 45.7966 0.0000 172.4433 67 C 4.8127 8.3650 115.7682 54.8521 42.0786 173.6261 68 R 4.0558 8.4472 123.5062 57.5467 30.0281 177.2344 69 G 3.9063 8.8724 112.5733 45.5739 0.0000 173.4547 70 I 3.9704 6.9334 118.8026 60.6921 37.9569 175.7415 71 D 4.4461 8.6789 121.3386 55.2930 41.4561 178.8310 72 D 4.8274 8.2445 117.7560 53.7827 39.6368 173.7883 73 K 4.1250 8.8923 121.2362 56.3386 32.2205 176.3710 74 H 4.0877 8.8213 119.1481 55.4121 27.3779 174.7200 75 W 5.3409 7.5947 119.5140 56.8875 33.1789 173.3426 76 N 5.5738 9.1578 120.9620 51.6439 41.5611 173.7696 77 S 5.7651 8.3238 114.8018 57.3314 66.7995 172.4573 78 Q 4.8010 8.4697 121.0292 54.9803 32.9360 173.6420 79 C 5.1834 8.6950 120.6605 55.6384 38.7029 173.3701 80 K 4.7622 9.1944 121.9739 54.7631 36.2226 175.1569 81 T 4.7538 8.5184 118.8818 61.4908 68.2069 174.3801 82 S 4.7160 8.8782 123.9809 57.5225 65.8148 172.5363 83 Q 4.9457 8.1223 118.2120 54.8966 33.0433 173.6409 84 T 4.2624 8.3556 113.5204 61.8107 71.5304 171.2392 85 Y 5.4989 8.2742 121.0250 56.6912 39.8725 176.0512 86 V 5.0170 9.0460 115.2838 59.8619 36.5974 174.9373 87 R 4.2865 8.2175 122.0273 56.0729 31.0384 175.8082 88 A 5.0074 8.9182 123.1288 50.3397 23.5963 175.3208 89 L 3.8837 8.8900 123.7156 54.4316 42.8702 175.7335 90 T 5.1576 8.5957 116.8478 60.1252 72.9562 172.3359 91 S 4.7759 8.9706 115.3569 58.7661 66.9525 174.7388 92 E 4.2763 8.5237 119.7587 56.9321 29.1422 177.7422 93 N 4.5835 9.0827 122.2894 53.3795 38.1349 175.9235 94 N 3.9736 8.2467 115.8545 54.9074 37.0910 174.3362 95 K 3.5363 8.4523 116.0214 58.9896 31.2429 174.3374 96 L 3.6521 8.1767 113.4040 56.2338 39.1559 174.6846 97 V 3.9920 7.5936 118.1266 62.4416 32.7865 175.7153 98 G 3.8810 7.9615 113.6417 45.8701 0.0000 171.4596 99 W 4.9198 8.6219 120.0761 56.2946 29.7996 176.6223 100 R 4.7611 8.8272 122.2864 54.3060 35.1230 174.2072 101 W 5.0818 8.8260 121.0084 56.0169 30.3831 175.6782 102 I 5.2232 8.9790 119.0011 59.0539 40.4366 174.5609 103 R 5.8921 8.5231 119.9367 54.1108 31.4456 175.4091 104 I 4.7175 7.8855 113.2095 59.0639 41.7335 173.8001 105 D 4.9013 8.5539 122.9811 55.1217 41.3617 176.7453 106 T 4.5817 8.4057 114.5382 61.4124 69.5966 172.6506 107 S 4.5422 7.3051 113.9588 58.5071 66.1071 175.0081 108 C 5.2691 8.8183 121.2626 54.9178 41.9866 173.2010 109 V 4.6587 9.0045 119.3774 59.5277 35.3748 174.0632 110 C 5.0504 8.6810 122.2679 55.8770 43.2873 172.4377 111 A 4.7911 8.8676 126.7473 50.0670 21.5784 176.4583 112 L 5.2830 8.3871 120.7066 54.3518 41.9555 176.5264 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 11 Y 8.14 4.55 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.43 4.63 0.00 4.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.97 3.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.90 0.00 0.00 14 C 7.83 5.37 0.00 2.78 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.61 5.16 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.41 5.18 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.07 4.70 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 18 S 8.46 5.12 0.00 3.62 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.78 4.37 0.00 1.69 1.67 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.84 5.17 0.00 3.32 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 9.62 4.54 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 22 T 8.99 4.61 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 23 D 8.03 4.82 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.18 4.14 0.00 1.78 1.89 0.00 1.00 0.00 0.00 1.40 0.00 0.00 2.57 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.34 1.33 7.81 25 S 8.55 4.93 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.80 5.17 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.58 4.49 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.07 4.75 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.99 0.00 0.00 29 D 8.88 5.10 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.12 3.69 1.56 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.22 0.88 0.00 0.00 31 R 8.09 4.14 0.00 1.87 1.91 0.00 3.18 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 32 G 8.25 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.29 4.61 0.00 3.42 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.56 4.87 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 35 V 8.73 4.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 36 T 8.55 4.67 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 37 V 8.29 4.48 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.82 0.00 0.00 38 L 8.57 4.33 0.00 1.68 1.55 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.58 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.88 5.16 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 41 I 8.42 4.18 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 1.14 0.00 0.00 *48 V 7.46 4.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 49 K 8.77 4.82 0.00 1.87 1.89 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 50 Q 9.08 4.42 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.27 1.98 0.00 51 Y 7.77 5.12 0.00 3.33 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.42 4.82 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.67 4.62 0.00 2.06 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.32 4.83 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 55 T 8.19 4.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 56 R 8.57 4.75 0.00 1.81 1.93 0.00 2.92 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 57 C 8.68 4.55 0.00 2.86 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.76 4.02 0.00 1.71 1.72 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 59 E 7.79 3.78 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 *66 G 8.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.36 4.81 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.45 4.06 0.00 1.85 1.84 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 69 G 8.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 6.93 3.97 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.90 0.00 0.00 71 D 8.68 4.45 0.00 2.99 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.24 4.83 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.89 4.13 0.00 1.57 1.68 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.48 7.81 74 H 8.82 4.09 0.00 3.01 3.30 0.00 5.74 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 7.59 5.34 0.00 3.59 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.16 5.57 0.00 2.71 2.74 0.00 0.00 6.62 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.32 5.77 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.47 4.80 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 79 C 8.69 5.18 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 9.19 4.76 0.00 1.58 1.61 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 81 T 8.52 4.75 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 82 S 8.88 4.72 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.12 4.95 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 84 T 8.36 4.26 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 Y 8.27 5.50 0.00 2.93 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 9.05 5.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.21 0.00 0.00 87 R 8.22 4.29 0.00 1.38 1.82 0.00 2.96 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 88 A 8.92 5.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.89 3.88 0.00 0.48 1.13 -0.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.60 5.16 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 91 S 8.97 4.78 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.52 4.28 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 93 N 9.08 4.58 0.00 2.82 2.88 0.00 0.00 6.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.25 3.97 0.00 2.87 2.88 0.00 0.00 7.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.45 3.54 0.00 1.93 1.81 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 96 L 8.18 3.65 0.00 1.81 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.59 3.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.93 0.00 0.00 98 G 7.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 W 8.62 4.92 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.83 4.76 0.00 1.73 1.79 0.00 3.11 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 101 W 8.83 5.08 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.98 5.22 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.94 0.00 0.00 103 R 8.52 5.89 0.00 1.63 1.83 0.00 3.04 0.00 0.00 3.16 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.40 0.00 104 I 7.89 4.72 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.76 0.00 0.00 105 D 8.55 4.90 0.00 2.55 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.41 4.58 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 107 S 7.31 4.54 0.00 3.87 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.82 5.27 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.00 4.66 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.94 0.00 0.00 110 C 8.68 5.05 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.87 4.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.39 5.28 0.00 1.55 1.52 -0.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.